propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

C12H20O2 — CID 43389559

IUPACpropyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCCOC(=O)CC1CC2CCC1C2
InChIInChI=1S/C12H20O2/c1-2-5-14-12(13)8-11-7-9-3-4-10(11)6-9/h9-11H,2-8H2,1H3
InChIKeyRRBGPECVWLPSFL-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.77
Rot. Bonds4

About propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 43389559) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Namepropyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID43389559
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namepropyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCCOC(=O)CC1CC2CCC1C2
InChIInChI=1S/C12H20O2/c1-2-5-14-12(13)8-11-7-9-3-4-10(11)6-9/h9-11H,2-8H2,1H3
InChIKeyRRBGPECVWLPSFL-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
4-O-(2-bicyclo[2.2.1]heptanyl) 1-O-propyl butanedioate
CID 91702543
1-(2-bicyclo[2.2.1]heptanyl)-3-(propylamino)propan-2-one
CID 116562735
ethyl 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]prop-2-enoate
CID 10703588
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 86776670
(1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 55397357
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556654
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 43389559) is propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is CCCOC(=O)CC1CC2CCC1C2.
What is the InChIKey of propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is RRBGPECVWLPSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-5-14-12(13)8-11-7-9-3-4-10(11)6-9/h9-11H,2-8H2,1H3.
What are the key properties of propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 196.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 43389559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).